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Chapter
Reinforcing Potential of 2D Nanofiller in Polyethylene: A Molecular Dynamics Approach
In this chapter, the authors have emphasized the reinforcing potential of the 2D nanofiller such as graphene and hexagonal boron nitride nanosheet in the polymer matrix nanocomposites using a molecular dynamic...
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Article
Inter-granular fracture behaviour in bicrystalline boron nitride nanosheets using atomistic and continuum mechanics-based approaches
Hexagonal boron nitride nanosheets (BNNS) are among the emerging nanomaterials with potential application in water purification, nanocomposites and ion separation. In this article, atomistic followed by sequen...
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Chapter
Lifecycle Assessment of Thermoplastic and Thermosetting Bamboo Composites
This chapter reports on the lifecycle assessment of the thermoplastic and thermosetting polymers composites reinforced with bamboo fibers. Several research works have reported that the bamboo reinforced polyme...
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Chapter and Conference Paper
Enhanced Mechanical Properties of h-BN Nanosheets via Edge Passivation Using Various Radicals
In this research article, classical mechanics-based molecular dynamics (MD) approach were applied to analyze the effect of edge passivation using various radicals, viz. hydrogen (H) and hydroxyl (OH) on the un...
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Chapter and Conference Paper
Evaluation of Interfacial Shear Strength of h-BN/PE Nanocomposites Using Molecular Dynamics
Interfacial shear strength of the h-BN/polyethylene (PE) nanocomposites has predicted using the molecular dynamics approach. The reaction force field (Reaxff) and L-J potential are used for interatomic integra...
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Chapter and Conference Paper
Fracture Toughness Enhancement of Boron Nitride Nanosheets via Crack Edge Passivation Using Various Radicals
In this paper, classic mechanics-based approach was employed to predict the effect of crack edge passivation using different groups, viz. H, OH on the fracture properties of hexagonal boron nitride nanosheets ...
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Chapter and Conference Paper
Enhancement in Mechanical Properties of Polyethylene Using h-BN Nanofiller
In this present study, effect of h-BN nanosheet on mechanical properties of polyethylene was studied using molecular dynamics-based approach. A reactive force field was used to predict the mechanical performan...
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Article
Mechanical and fracture behaviour of hydroxyl functionalized h-BN nanosheets
Hydroxyl functionalized h-BN nanosheets (BNNS) are potential applicant for reinforcing polymer-based nanocomposites and develo** nanomembranes for ion separation. So far, the literature is almost mute on the...
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Chapter and Conference Paper
Characterization of 2D Nanomaterials for Energy Storage
Objective of this article is to explore the influence of hydrogenation on the mechanical and fracture properties of two-dimensional nanomaterials mainly graphene and hexagonal boron nitride (h-BN) nanosheets. ...
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Chapter
Surface Modification Techniques for the Preparation of Different Novel Biofibers for Composites
This chapter reports on the various physical and chemical methods used in modifying the natural fibers properties for application in reinforcing composites. Low cost, low density and biodegradable nature of bi...
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Article
Effect of symmetrical and asymmetrical tilt grain boundaries on the tensile deformation of zirconium bicrystals: a MD-based study
The aim of this article was to study the effect of symmetrical as well as asymmetrical tilt grain boundaries on the tensile deformation of irradiated bicrystalline zirconium. Molecular statics-based simulation...
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Article
Multiscale Model to Study of Fracture Toughening in Graphene/Polymer Nanocomposite
The aim of this letter is to study the fracture toughening in graphene/polymer nanocomposites. Finite element based multiscale model was developed for the proposed study; where graphene is modeled in atomistic...
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Article
Open AccessMultiscale model to investigate the effect of graphene on the fracture characteristics of graphene/polymer nanocomposites
In this theoretical research work, the fracture characteristics of graphene-modified polymer nanocomposites were studied. A three-dimensional representative volume element-based multiscale model was developed ...
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Article
Open AccessRepresentative volume element to estimate buckling behavior of graphene/polymer nanocomposite
The aim of the research article is to develop a representative volume element using finite elements to study the buckling stability of graphene/polymer nanocomposites. Research work exploring the full potentia...
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Article
Study of Mode I Fracture of Graphene Sheets Using Atomistic Based Finite Element Modeling and Virtual Crack Closure Technique
In this letter a finite element based atomistic model is proposed. This model was employed to study the mode I fracture characteristics of graphene monolayers. The proposed model was found to be less numerical...
